5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide

C23H19N3O2S — CID 67148905

IUPAC5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C#N)cc2)s1
InChIInChI=1S/C23H19N3O2S/c1-14-2-5-17(22(27)25-18-8-9-18)12-19(14)26-23(28)21-11-10-20(29-21)16-6-3-15(13-24)4-7-16/h2-7,10-12,18H,8-9H2,1H3,(H,25,27)(H,26,28)
InChIKeyGBEBCBVAFSGAEO-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.74
Rot. Bonds5

About 5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide

5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide (PubChem CID 67148905) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
PubChem CID67148905
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C#N)cc2)s1
InChIInChI=1S/C23H19N3O2S/c1-14-2-5-17(22(27)25-18-8-9-18)12-19(14)26-23(28)21-11-10-20(29-21)16-6-3-15(13-24)4-7-16/h2-7,10-12,18H,8-9H2,1H3,(H,25,27)(H,26,28)
InChIKeyGBEBCBVAFSGAEO-UHFFFAOYSA-N
XLogP4.74
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide (CID 67148905) is 5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C#N)cc2)s1.
What is the InChIKey of 5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide?
The InChIKey is GBEBCBVAFSGAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-14-2-5-17(22(27)25-18-8-9-18)12-19(14)26-23(28)21-11-10-20(29-21)16-6-3-15(13-24)4-7-16/h2-7,10-12,18H,8-9H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide?
5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 67148905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).